ethyl (2R)-3,3-dimethyl-1-[2-(2-methylpropyl)-4-oxidanylidene-quinazolin-3-yl]aziridine-2-carboxylate

Systemtic Name: ethyl (2R)-3,3-dimethyl-1-[2-(2-methylpropyl)-4-oxidanylidene-quinazolin-3-yl]aziridine-2-carboxylate Openeye Name: ethyl (2R)-1-(2-isobutyl-4-oxo-quinazolin-3-yl)-3,3-dimethyl-aziridine-2-carboxylate CAS Name: (2R)-3,3-dimethyl-1-[2-(2-methylpropyl)-4-oxo-3-quinazolinyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-3,3-dimethyl-1-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]aziridine-2-carboxylate Traditional Name: (2R)-1-(2-isobutyl-4-keto-quinazolin-3-yl)-3,3-dimethyl-ethylenimine-2-carboxylic acid ethyl ester Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1N2C(=NC3=CC=CC=C3C2=O)CC(C)C)(C)C

Isomeric SMILES

CCOC(=O)[C@H]1C(N1N2C(=NC3=CC=CC=C3C2=O)CC(C)C)(C)C

InChI

InChI=1S/C19H25N3O3/c1-6-25-18(24)16-19(4,5)22(16)21-15(11-12(2)3)20-14-10-8-7-9-13(14)17(21)23/h7-10,12,16H,6,11H2,1-5H3/t16-,22?/m0/s1